7UKW
| EGFR(T790M/V948R) in complex with Lazertinib (YH25448) | 分子名称: | Epidermal growth factor receptor, N-[5-{[(4P)-4-{4-[(dimethylamino)methyl]-3-phenyl-1H-pyrazol-1-yl}pyrimidin-2-yl]amino}-4-methoxy-2-(morpholin-4-yl)phenyl]propanamide | 著者 | Pham, C.D, Heppner, D.E. | 登録日 | 2022-04-02 | 公開日 | 2022-11-23 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Structural Basis for Inhibition of Mutant EGFR with Lazertinib (YH25448). Acs Med.Chem.Lett., 13, 2022
|
|
7VKO
| Crystal structure of TrkA kinase with repotrectinib | 分子名称: | Repotrectinib, SULFATE ION, Tyrosine-protein kinase receptor | 著者 | Murray, B.W, Rogers, E, Zhai, D, Deng, W, Chen, X, Sprengeler, P.A, Zhang, X, Graber, A, Reich, S.H, Stopatschinskaja, S, Solomon, B, Besse, B, Drilon, A. | 登録日 | 2021-09-30 | 公開日 | 2021-10-13 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Molecular Characteristics of Repotrectinib That Enable Potent Inhibition of TRK Fusion Proteins and Resistant Mutations. Mol.Cancer Ther., 20, 2021
|
|
7VKM
| Crystal structure of TrkA (G595R) kinase domain | 分子名称: | Tyrosine-protein kinase receptor | 著者 | Murray, B.W, Rogers, E, Zhai, D, Deng, W, Chen, X, Sprengeler, P.A, Zhang, X, Graber, A, Reich, S.H, Stopatschinskaja, S, Solomon, B, Besse, B, Drilon, A. | 登録日 | 2021-09-30 | 公開日 | 2021-10-13 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Molecular Characteristics of Repotrectinib That Enable Potent Inhibition of TRK Fusion Proteins and Resistant Mutations. Mol.Cancer Ther., 20, 2021
|
|
7VKN
| Crystal structure of TrkA (G595R) kinase with repotrectinib | 分子名称: | Repotrectinib, SULFATE ION, Tyrosine-protein kinase receptor | 著者 | Murray, B.W, Rogers, E, Zhai, D, Deng, W, Chen, X, Sprengeler, P.A, Zhang, X, Graber, A, Reich, S.H, Stopatschinskaja, S, Solomon, B, Besse, B, Drilon, A. | 登録日 | 2021-09-30 | 公開日 | 2021-10-13 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Molecular Characteristics of Repotrectinib That Enable Potent Inhibition of TRK Fusion Proteins and Resistant Mutations. Mol.Cancer Ther., 20, 2021
|
|
7VJL
| The crystal structure of FGFR4 kinase domain in complex with N-(5-cyano-4-((2-methoxyethyl)amino)pyridin-2-yl)-7-(2,2,2-trifluoroacetyl)-3,4-dihydro-1,8-naphthyridine-1(2H)-carboxamide | 分子名称: | Fibroblast growth factor receptor 4, N-[5-(aminomethyl)-4-(2-methoxyethylamino)pyridin-2-yl]-7-[2,2,2-tris(fluoranyl)ethanoyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide | 著者 | Zhang, Z.M, Wang, Y.J. | 登録日 | 2021-09-28 | 公開日 | 2022-02-23 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.900173 Å) | 主引用文献 | Characterization of an aromatic trifluoromethyl ketone as a new warhead for covalently reversible kinase inhibitor design. Bioorg.Med.Chem., 50, 2021
|
|
7VRA
| The crystal structure of EGFR T790M/C797S with the inhibitor HC5476 | 分子名称: | 25-chloro-11-(ethylsulfonyl)-44-morpholino-11H-5,12-dioxa-3-aza-1(3,6)-indola-2(4,2)-pyrimidina-4(1,3)-benzenacyclododecaphane, Epidermal growth factor receptor | 著者 | Zhu, S.J. | 登録日 | 2021-10-22 | 公開日 | 2022-06-08 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | 主引用文献 | Conformational Constrained 4-(1-Sulfonyl-3-indol)yl-2-phenylaminopyrimidine Derivatives as New Fourth-Generation Epidermal Growth Factor Receptor Inhibitors Targeting T790M/C797S Mutations. J.Med.Chem., 65, 2022
|
|
7VRE
| The crystal structure of EGFR T790M/C797S with the inhibitor HCD2892 | 分子名称: | 5-chloranyl-N-[5-chloranyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-4-(1-ethylsulfonylindol-3-yl)pyrimidin-2-amine, Epidermal growth factor receptor | 著者 | Zhu, S.J. | 登録日 | 2021-10-22 | 公開日 | 2022-06-08 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.507 Å) | 主引用文献 | Conformational Constrained 4-(1-Sulfonyl-3-indol)yl-2-phenylaminopyrimidine Derivatives as New Fourth-Generation Epidermal Growth Factor Receptor Inhibitors Targeting T790M/C797S Mutations. J.Med.Chem., 65, 2022
|
|
7WF5
| c-Src in complex with ponatinib | 分子名称: | 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzam ide, Proto-oncogene tyrosine-protein kinase Src | 著者 | Guo, M, Duan, Y, Dai, S, Chen, X, Chen, Y. | 登録日 | 2021-12-26 | 公開日 | 2022-03-02 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.798 Å) | 主引用文献 | Structural study of ponatinib in inhibiting SRC kinase. Biochem.Biophys.Res.Commun., 598, 2022
|
|
7WCW
| Crystal structure of FGFR4(V550L) kinase domain with 7v | 分子名称: | Fibroblast growth factor receptor 4, SULFATE ION, ~{N}-[2-[[5-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1~{H}-indazol-3-yl]amino]-3-fluoranyl-5-(4-morpholin-4-ylpiperidin-1-yl)phenyl]propanamide | 著者 | Chen, X.J, Lin, Q.M, Dai, S.Y, Chen, Y.H. | 登録日 | 2021-12-20 | 公開日 | 2022-03-30 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.317 Å) | 主引用文献 | Design, Synthesis, and Biological Evaluation of Aminoindazole Derivatives as Highly Selective Covalent Inhibitors of Wild-Type and Gatekeeper Mutant FGFR4. J.Med.Chem., 65, 2022
|
|
7WCT
| Crystal structure of FGFR4 kinase domain with 7v | 分子名称: | Fibroblast growth factor receptor 4, GLYCEROL, SULFATE ION, ... | 著者 | Chen, X.J, Lin, Q.M, Dai, S.Y, Chen, Y.H. | 登録日 | 2021-12-20 | 公開日 | 2022-03-30 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.106 Å) | 主引用文献 | Design, Synthesis, and Biological Evaluation of Aminoindazole Derivatives as Highly Selective Covalent Inhibitors of Wild-Type and Gatekeeper Mutant FGFR4. J.Med.Chem., 65, 2022
|
|
7WCX
| Crystal structure of FGFR4(V550M) kinase domain with 7v | 分子名称: | Fibroblast growth factor receptor 4, SULFATE ION, ~{N}-[2-[[5-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1~{H}-indazol-3-yl]amino]-3-fluoranyl-5-(4-morpholin-4-ylpiperidin-1-yl)phenyl]propanamide | 著者 | Chen, X.J, Lin, Q.M, Dai, S.Y, Chen, Y.H. | 登録日 | 2021-12-20 | 公開日 | 2022-03-30 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.175 Å) | 主引用文献 | Design, Synthesis, and Biological Evaluation of Aminoindazole Derivatives as Highly Selective Covalent Inhibitors of Wild-Type and Gatekeeper Mutant FGFR4. J.Med.Chem., 65, 2022
|
|
7W7Y
| The crystal structure of human abl1 kinase domain in complex with ABL2-A5 | 分子名称: | 5-[3-(5-methanoyl-2-methoxy-4-oxidanyl-phenyl)-1~{H}-pyrrolo[2,3-b]pyridin-5-yl]-~{N},~{N}-dimethyl-pyridine-3-carboxamide, Tyrosine-protein kinase ABL1 | 著者 | Zhu, C, Zhang, Z.M. | 登録日 | 2021-12-06 | 公開日 | 2022-04-27 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.20003033 Å) | 主引用文献 | Cell-Active, Reversible, and Irreversible Covalent Inhibitors That Selectively Target the Catalytic Lysine of BCR-ABL Kinase. Angew.Chem.Int.Ed.Engl., 61, 2022
|
|
7W7X
| The crystal structure of human abl1 kinase domain in complex with ABL1-A11 | 分子名称: | 5-[5-(dimethylcarbamoyl)pyridin-3-yl]-3-(5-fluorosulfonyloxy-2-methoxy-phenyl)-1H-pyrrolo[2,3-b]pyridine, Tyrosine-protein kinase ABL1 | 著者 | Zhu, C, Zhang, Z.M. | 登録日 | 2021-12-06 | 公開日 | 2022-04-27 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.0000093 Å) | 主引用文献 | Cell-Active, Reversible, and Irreversible Covalent Inhibitors That Selectively Target the Catalytic Lysine of BCR-ABL Kinase. Angew.Chem.Int.Ed.Engl., 61, 2022
|
|
7WCL
| Crystal structure of FGFR1 kinase domain with Pemigatinib | 分子名称: | 11-[2,6-bis(fluoranyl)-3,5-dimethoxy-phenyl]-13-ethyl-4-(morpholin-4-ylmethyl)-5,7,11,13-tetrazatricyclo[7.4.0.0^{2,6}]trideca-1(9),2(6),3,7-tetraen-12-one, Fibroblast growth factor receptor 1, SULFATE ION | 著者 | Chen, X.J, Lin, Q.M, Jiang, L.Y, Qu, L.Z, Chen, Y.H. | 登録日 | 2021-12-20 | 公開日 | 2022-09-14 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.495 Å) | 主引用文献 | Characterization of the cholangiocarcinoma drug pemigatinib against FGFR gatekeeper mutants. Commun Chem, 5, 2022
|
|
7XAF
| The crystal structure of TrkA kinase in complex with 4^6,14-dimethyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-10-oxo-5-oxa-11,14-diaza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclo- tetradecaphan-2-yne-45-carboxamide | 分子名称: | 4^6,14-dimethyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-10-oxo-5-oxa-11,14-diaza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclo-tetradecaphan-2-yne-45-carboxamide, High affinity nerve growth factor receptor | 著者 | Zhang, Z.M, Wang, Y.J. | 登録日 | 2022-03-17 | 公開日 | 2022-06-01 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (3.001182 Å) | 主引用文献 | Discovery of the First Highly Selective and Broadly Effective Macrocycle-Based Type II TRK Inhibitors that Overcome Clinically Acquired Resistance. J.Med.Chem., 65, 2022
|
|
7XHY
| |
7XDV
| |
7XDX
| |
7XDY
| |
7XBI
| The crystal structure of human TrkA kinase bound to the inhibitor | 分子名称: | 4-[[2-fluoranyl-5-(trifluoromethyl)phenyl]carbamoylamino]-~{N}-[3-(1-methylpyrazol-4-yl)-1~{H}-indazol-5-yl]-2-(trifluoromethyl)benzamide, CHLORIDE ION, High affinity nerve growth factor receptor | 著者 | Wu, C.Y, Wang, G, Ouyang, L. | 登録日 | 2022-03-21 | 公開日 | 2023-03-29 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.16 Å) | 主引用文献 | The crystal structure of human TrkA kinase bound to the inhibitor To be published
|
|
7XDW
| |
7XMK
| Crystal structure of human RIPK1 kinase domain in complex with compound SKLB923 | 分子名称: | 5-[2-(cyclopropylcarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-methyl-indole-3-carboxamide, IODIDE ION, Receptor-interacting serine/threonine-protein kinase 1 | 著者 | Zhang, L, Wang, Y, Li, Y, Yang, S. | 登録日 | 2022-04-26 | 公開日 | 2023-04-26 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.376 Å) | 主引用文献 | From Hit to Lead: Structure-Based Optimization of Novel Selective Inhibitors of Receptor-Interacting Protein Kinase 1 (RIPK1) for the Treatment of Inflammatory Diseases. J.Med.Chem., 67, 2024
|
|
7YBO
| Crystal structure of FGFR4 kinase domain with 10z | 分子名称: | Fibroblast growth factor receptor 4, SULFATE ION, ~{N}-[4-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-5-cyano-pyridin-2-yl]-6-bromanyl-5-(hydroxymethyl)-1-(2-morpholin-4-ylethyl)pyrrolo[3,2-b]pyridine-3-carboxamide | 著者 | Chen, X.J, Lin, Q.M, Chen, Y.H. | 登録日 | 2022-06-29 | 公開日 | 2022-11-16 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.307 Å) | 主引用文献 | Design, Synthesis, and Biological Evaluation of 5-Formyl-pyrrolo[3,2- b ]pyridine-3-carboxamides as New Selective, Potent, and Reversible-Covalent FGFR4 Inhibitors. J.Med.Chem., 65, 2022
|
|
7Y4T
| Crystal structure of cMET kinase domain bound by compound 9I | 分子名称: | 2-[2-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-6-(3-nitrophenyl)pyridazin-3-one, Hepatocyte growth factor receptor | 著者 | Qu, L.Z, Chen, Y.H. | 登録日 | 2022-06-16 | 公開日 | 2022-11-23 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.16 Å) | 主引用文献 | Discovery of D6808, a Highly Selective and Potent Macrocyclic c-Met Inhibitor for Gastric Cancer Harboring MET Gene Alteration Treatment. J.Med.Chem., 65, 2022
|
|
7Y4U
| Crystal structure of cMET kinase domain bound by compound 9Y | 分子名称: | Hepatocyte growth factor receptor, ~{N}-methyl-4-[1-[2-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-6-oxidanylidene-pyridazin-3-yl]-2-(trifluoromethyl)benzamide | 著者 | Qu, L.Z, Chen, Y.H. | 登録日 | 2022-06-16 | 公開日 | 2022-11-23 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | 主引用文献 | Discovery of D6808, a Highly Selective and Potent Macrocyclic c-Met Inhibitor for Gastric Cancer Harboring MET Gene Alteration Treatment. J.Med.Chem., 65, 2022
|
|